2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

C19H24N8O — CID 72945116

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(Nc2ncccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H24N8O/c1-13-10-14(2)27(25-13)19-23-16(22-18-20-7-5-8-21-18)11-17(24-19)26-9-4-6-15(26)12-28-3/h5,7-8,10-11,15H,4,6,9,12H2,1-3H3,(H,20,21,22,23,24)/t15-/m1/s1
InChIKeyIEVAHKNCVKHJOO-OAHLLOKOSA-N
MW380.46 g/mol
LogP2.43
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 72945116) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID72945116
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(Nc2ncccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H24N8O/c1-13-10-14(2)27(25-13)19-23-16(22-18-20-7-5-8-21-18)11-17(24-19)26-9-4-6-15(26)12-28-3/h5,7-8,10-11,15H,4,6,9,12H2,1-3H3,(H,20,21,22,23,24)/t15-/m1/s1
InChIKeyIEVAHKNCVKHJOO-OAHLLOKOSA-N
XLogP2.43
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 72945116) is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is COC[C@H]1CCCN1c1cc(Nc2ncccn2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is IEVAHKNCVKHJOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N8O/c1-13-10-14(2)27(25-13)19-23-16(22-18-20-7-5-8-21-18)11-17(24-19)26-9-4-6-15(26)12-28-3/h5,7-8,10-11,15H,4,6,9,12H2,1-3H3,(H,20,21,22,23,24)/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72945116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).